EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:129468 - cyclopentyl-[(2R,3R)-6-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
| Formula | C25H29FN2O2 |
| Net Charge | 0 |
| Average Mass | 408.517 |
| Monoisotopic Mass | 408.22131 |
| SMILES | O=C(C1CCCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccc(F)cc1)C2 |
| InChI | InChI=1S/C25H29FN2O2/c26-21-12-10-18(11-13-21)14-27-16-25(17-27)23(19-6-2-1-3-7-19)22(15-29)28(25)24(30)20-8-4-5-9-20/h1-3,6-7,10-13,20,22-23,29H,4-5,8-9,14-17H2/t22-,23+/m0/s1 |
| InChIKey | SGKIHBPJVSZXLM-XZOQPEGZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclopentyl-[(2R,3R)-6-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone (CHEBI:129468) is a azetidines (CHEBI:38777) |
| cyclopentyl-[(2R,3R)-6-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone (CHEBI:129468) is a benzenes (CHEBI:22712) |
| cyclopentyl-[(2R,3R)-6-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone (CHEBI:129468) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41019 | LINCS |